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matchms: add require SMILES and require INCHI filters
Add issues to project #13: Issue #397 opened by hechth
September 12, 2023 08:51 13s
September 12, 2023 08:51 13s
Update matchms to 0.22.0
Galaxy Tool Linting and Tests for push and PR #1280: Pull request #395 synchronize by hechth
September 12, 2023 08:46 19m 25s hechth/issue388
September 12, 2023 08:46 19m 25s
updated test data
Galaxy Tool Linting and Tests for push and PR #1279: Commit c5c821f pushed by hechth
September 12, 2023 08:46 19m 11s hechth/issue388
September 12, 2023 08:46 19m 11s
Update matchms to 0.22.0
Galaxy Tool Linting and Tests for push and PR #1278: Pull request #395 synchronize by hechth
September 12, 2023 07:38 19m 40s hechth/issue388
September 12, 2023 07:38 19m 40s
added score renaming and updated test case
Galaxy Tool Linting and Tests for push and PR #1277: Commit 05b1696 pushed by hechth
September 12, 2023 07:38 20m 38s hechth/issue388
September 12, 2023 07:38 20m 38s
Bump matchms version to 0.22.0
Slash Command Dispatch #528: Issue comment #396 (comment) created by zargham-ahmad
September 12, 2023 03:40 15s
September 12, 2023 03:40 15s
Bump matchms version to 0.22.0
Galaxy Tool Linting and Tests for push and PR #1276: Pull request #396 opened by zargham-ahmad
September 12, 2023 02:45 23m 32s zargham-ahmad:issue388
September 12, 2023 02:45 23m 32s
Update matchms to 0.22.0
Galaxy Tool Linting and Tests for push and PR #1275: Pull request #395 synchronize by hechth
September 11, 2023 16:14 19m 1s hechth/issue388
September 11, 2023 16:14 19m 1s
adapted implementation with empty scores
Galaxy Tool Linting and Tests for push and PR #1274: Commit f651323 pushed by hechth
September 11, 2023 16:14 24m 4s hechth/issue388
September 11, 2023 16:14 24m 4s
Update matchms to 0.22.0
Galaxy Tool Linting and Tests for push and PR #1273: Pull request #395 opened by hechth
September 11, 2023 14:39 31m 20s hechth/issue388
September 11, 2023 14:39 31m 20s
matchms: update to 0.22.0
Galaxy Tool Linting and Tests for push and PR #1272: Commit f7a9e4d pushed by hechth
September 11, 2023 14:38 31m 19s hechth/issue388
September 11, 2023 14:38 31m 19s
added check for number of trajectories
Galaxy Tool Linting and Tests for push and PR #1271: Commit acf0b96 pushed by hechth
September 11, 2023 14:12 12m 3s qcxms
September 11, 2023 14:12 12m 3s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1270: Pull request #394 synchronize by wverastegui
September 11, 2023 09:05 12m 16s wverastegui:xtb
September 11, 2023 09:05 12m 16s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1269: Pull request #394 synchronize by wverastegui
September 11, 2023 09:04 2m 5s wverastegui:xtb
September 11, 2023 09:04 2m 5s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1268: Pull request #394 synchronize by wverastegui
September 11, 2023 08:35 18m 29s wverastegui:xtb
September 11, 2023 08:35 18m 29s
Weekly global Tool Linting and Tests
Weekly global Tool Linting and Tests #163: Scheduled
September 11, 2023 01:04 24m 52s master
September 11, 2023 01:04 24m 52s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1267: Pull request #394 synchronize by wverastegui
September 8, 2023 08:21 7m 21s wverastegui:xtb
September 8, 2023 08:21 7m 21s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1266: Pull request #394 synchronize by wverastegui
September 8, 2023 08:08 8m 7s wverastegui:xtb
September 8, 2023 08:08 8m 7s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1265: Pull request #394 synchronize by wverastegui
September 8, 2023 08:07 1m 45s wverastegui:xtb
September 8, 2023 08:07 1m 45s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1264: Pull request #394 synchronize by wverastegui
September 8, 2023 06:57 9m 26s wverastegui:xtb
September 8, 2023 06:57 9m 26s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1263: Pull request #394 synchronize by wverastegui
September 7, 2023 15:53 8m 9s wverastegui:xtb
September 7, 2023 15:53 8m 9s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1262: Pull request #394 synchronize by wverastegui
September 7, 2023 15:41 9m 56s wverastegui:xtb
September 7, 2023 15:41 9m 56s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1261: Pull request #394 synchronize by wverastegui
September 7, 2023 15:33 7m 59s wverastegui:xtb
September 7, 2023 15:33 7m 59s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1260: Pull request #394 synchronize by wverastegui
September 7, 2023 09:57 47m 51s wverastegui:xtb
September 7, 2023 09:57 47m 51s
Molecular optimization tool
Galaxy Tool Linting and Tests for push and PR #1259: Pull request #394 synchronize by wverastegui
September 7, 2023 09:44 13m 26s wverastegui:xtb
September 7, 2023 09:44 13m 26s
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